N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine

C16H22N2 — CID 62823531

IUPACN-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1cccc2cnccc12
InChIInChI=1S/C16H22N2/c1-12(2)9-13(3)18-11-15-6-4-5-14-10-17-8-7-16(14)15/h4-8,10,12-13,18H,9,11H2,1-3H3
InChIKeyIRTHXLJKQVNYQI-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.76
Rot. Bonds5

About N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine

N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine (PubChem CID 62823531) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine
PubChem CID62823531
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1cccc2cnccc12
InChIInChI=1S/C16H22N2/c1-12(2)9-13(3)18-11-15-6-4-5-14-10-17-8-7-16(14)15/h4-8,10,12-13,18H,9,11H2,1-3H3
InChIKeyIRTHXLJKQVNYQI-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246
3-(isoquinolin-5-ylmethylamino)butan-1-ol
CID 83177363
N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine
CID 64606050
N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine
CID 55118905
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
1-N-(isoquinolin-5-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 62824247
N-(isoquinolin-5-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282290
N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 106209528
2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
CID 63478165
N-(3-isoquinolin-5-ylpropyl)-2-methylpropan-1-amine
CID 64505408
N-[(2,3-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371866

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine (CID 62823531) is N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine is CC(C)CC(C)NCc1cccc2cnccc12.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine?
The InChIKey is IRTHXLJKQVNYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12(2)9-13(3)18-11-15-6-4-5-14-10-17-8-7-16(14)15/h4-8,10,12-13,18H,9,11H2,1-3H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine?
N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine has a molecular weight of 242.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine is sourced from PubChem (CID 62823531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).